SCHEMBL7005201

SCHEMBL7005201

Cc1ccc(OCC(C)(C)C)cc1-c1nccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.43
CYP2A6 P11509 1/20 0.39
PDK2 Q15119 1/20 0.38
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36
GABRG3 Q99928 1/20 0.36
GABRQ Q9UN88 1/20 0.36
MAOA P21397 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7003794 0.86 SCN9A (0.45) SCN9ACYP2A6S1PR1KDM4ENPC1
SCHEMBL7007771 0.83 SCN9A (0.46) SCN9ACYP2A6MAOACYP3A4CYP2C19
SCHEMBL7004461 0.82 MAOA (0.44) SCN9ACYP2A6PDK2MAOAS1PR1
SCHEMBL7003795 0.81 SCN9A (0.57) SCN9ACYP2A6DRD1CYP3A4CYP2C19
SCHEMBL7005329 0.80 SCN9A (0.42) SCN9ACYP2A6MAOADRD1CYP3A4
SCHEMBL18753201 0.77 CYP2A6 (0.49) SCN9ACYP2A6MAOACYP3A4CYP2C19
SCHEMBL15668159 0.74 CYP2A6 (0.46) CYP2A6CYP3A4CYP2C19KDM4ENPC1
SCHEMBL12319848 0.73 KDM4E (0.49) SCN9ACYP2A6S1PR1CYP3A4CYP2C19
SCHEMBL3648742 0.73 CYP2A6 (0.55) SCN9ACYP2A6MAOACYP3A4CYP2C19
SCHEMBL12762391 0.72 S100A4 (0.47) SCN9ACYP2A6CYP3A4CYP2C19KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012064499-A1 PHOSPHORESCENT MATERIALS UNIVERSAL DISPLAY CORPORATION (US) 2012-05-18 WO disclosed